Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12273449 | 0.89 | HSP90AA1 (0.51) | HSP90AA1CYP3A4CYP2D6ALDH1A1HPGD | |
| SCHEMBL1767930 | 0.86 | HSP90AA1 (0.44) | HSP90AA1CYP3A4CYP2D6 | |
| SCHEMBL1767993 | 0.85 | HSP90AA1 (0.44) | HSP90AA1ALDH1A1 | |
| SCHEMBL12273734 | 0.85 | HSP90AA1 (0.49) | HSP90AA1CYP3A4CYP2D6 | |
| SCHEMBL12448027 | 0.84 | HSP90AA1 (0.66) | HSP90AA1CYP3A4CYP2D6ALDH1A1HPGD | |
| SCHEMBL1767995 | 0.82 | HSP90AA1 (0.46) | HSP90AA1ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL13144830 | 0.80 | CYP3A4 (0.48) | CYP3A4CYP2D6ALDH1A1HPGDMEN1 | |
| SCHEMBL3099560 | 0.80 | CYP3A4 (0.48) | CYP3A4CYP2D6ALDH1A1HPGDMEN1 | |
| SCHEMBL3081057 | 0.79 | CYP3A4 (0.53) | CYP3A4CYP2D6MEN1KMT2A | |
| Bicarbonate SCHEMBL16966267 | 0.78 | CYP3A4 (0.43) | CYP3A4CYP2D6ALDH1A1HPGDMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2504314-A1 | QUINAZOLINE DERIVATIVES | Merck Patent GmbH (DE) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011060873-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-05-26 | — | — | WO | disclosed |